1-amino-2-cyclobutylpropan-2-ol

C7H15NO — CID 21109691

IUPAC1-amino-2-cyclobutylpropan-2-ol
SMILESCC(O)(CN)C1CCC1
InChIInChI=1S/C7H15NO/c1-7(9,5-8)6-3-2-4-6/h6,9H,2-5,8H2,1H3
InChIKeyXWXWGCBUWGYOKT-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-2-cyclobutylpropan-2-ol

1-amino-2-cyclobutylpropan-2-ol (PubChem CID 21109691) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-2-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclobutylpropan-2-ol
PubChem CID21109691
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-2-cyclobutylpropan-2-ol
SMILESCC(O)(CN)C1CCC1
InChIInChI=1S/C7H15NO/c1-7(9,5-8)6-3-2-4-6/h6,9H,2-5,8H2,1H3
InChIKeyXWXWGCBUWGYOKT-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclobutylpropan-2-ol?
The IUPAC name of 1-amino-2-cyclobutylpropan-2-ol (CID 21109691) is 1-amino-2-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-amino-2-cyclobutylpropan-2-ol?
The canonical SMILES for 1-amino-2-cyclobutylpropan-2-ol is CC(O)(CN)C1CCC1.
What is the InChIKey of 1-amino-2-cyclobutylpropan-2-ol?
The InChIKey is XWXWGCBUWGYOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9,5-8)6-3-2-4-6/h6,9H,2-5,8H2,1H3.
What are the key properties of 1-amino-2-cyclobutylpropan-2-ol?
1-amino-2-cyclobutylpropan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclobutylpropan-2-ol is sourced from PubChem (CID 21109691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).